Compound Identification
SMILES
CC1=CCCC2(C)C(CCC2(O)CN2CCCN3CCCN=C23)C2=C(C=C(CC(O)CC1)C=C2)C(=O)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=MLDMZIWAXWZWLX-UHFFFAOYSA-N
Formula
C38H47N3O3S
Mass
625.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Aryl ketones Benzenoids Hydropyrimidines Diazinanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - 2,3,5-trisubstituted thiophene - 1,3-diazinane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Cyclic alcohol - Tertiary alcohol - Heteroaromatic compound - Thiophene - Guanidine - Ketone - Secondary alcohol - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available